SCHEMBL5792811

SCHEMBL5792811

CC(=O)N1CC(C)(C)Cc2cc(CCCN3CCN(c4nsc5ccccc45)CC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.53
HTR1A P08908 8/20 0.53
KCNH2 Q12809 7/20 0.53
DRD2 P14416 4/20 0.53
HTR7 P34969 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6748935 0.96 HTR2A (0.51) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL6220391 0.88 HTR1A (0.54) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL6221565 0.86 HTR2A (0.50) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL5794638 0.84 HTR2A (0.51) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL5763496 0.83 HTR2A (0.51) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL5767115 0.82 HTR2A (0.57) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL5764221 0.81 HTR1A (0.62) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL5795679 0.81 HTR1A (0.62) HTR2AHTR1AKCNH2DRD2HTR7
SCHEMBL6219456 0.77 HTR1A (0.53) HTR2AHTR1ADRD2HTR7
SCHEMBL9366654 0.77 HTR1A (0.60) HTR2AHTR1AKCNH2DRD2HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP disclosed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO disclosed
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 HTR2A 16/4885HTR1A 17/4885KCNH2 188/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.